Acetic Acid → HCID 178487433, compound
Reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]2)[n:7][n:8]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[NH:23]1[CH2:24][CH2:25][CH:26]([c:29]2[n:30][nH:31][c:32](-[c:34]3[n:35][cH:36][cH:37][cH:38][cH:39]3)[cH:33]2)[CH2:27][CH2:28]1.[Na+:57]>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:6](-[c:9]2[cH:10][cH:11][c:12]([CH2:13][N:23]3[CH2:24][CH2:25][CH:26]([c:29]4[n:30][nH:31][c:32](-[c:34]5[n:35][cH:36][cH:37][cH:38][cH:39]5)[cH:33]4)[CH2:27][CH2:28]3)[cH:15][cH:16]2)[n:7][n:8]1Participants
7
Sources & evidence
- ORD record
- ord-1b62f0afd13840aea2df7d6d441c57be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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